N-(3-acetamidophenyl)-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide

C22H19ClN4O2S — CID 30939931

About N-(3-acetamidophenyl)-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide

N-(3-acetamidophenyl)-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide (PubChem CID 30939931) has the molecular formula C22H19ClN4O2S and a molecular weight of 438.94 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide.

Molecular Properties

• Compound Name: N-(3-acetamidophenyl)-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
• PubChem CID: 30939931
• Molecular Formula: C22H19ClN4O2S
• Molecular Weight: 438.94 g/mol
• Exact Mass: 438.09
• IUPAC Name: N-(3-acetamidophenyl)-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
• SMILES: CC(=O)Nc1cccc(NC(=O)CCc2csc3nc(-c4ccc(Cl)cc4)cn23)c1
• InChI: InChI=1S/C22H19ClN4O2S/c1-14(28)24-17-3-2-4-18(11-17)25-21(29)10-9-19-13-30-22-26-20(12-27(19)22)15-5-7-16(23)8-6-15/h2-8,11-13H,9-10H2,1H3,(H,24,28)(H,25,29)
• InChIKey: PCNYTADGFPNSDH-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 75.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.94
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide?

The IUPAC name of N-(3-acetamidophenyl)-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide (CID 30939931) is N-(3-acetamidophenyl)-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide.

What is the SMILES notation for N-(3-acetamidophenyl)-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide?

The canonical SMILES for N-(3-acetamidophenyl)-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide is CC(=O)Nc1cccc(NC(=O)CCc2csc3nc(-c4ccc(Cl)cc4)cn23)c1.

What is the InChIKey of N-(3-acetamidophenyl)-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide?

The InChIKey is PCNYTADGFPNSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2S/c1-14(28)24-17-3-2-4-18(11-17)25-21(29)10-9-19-13-30-22-26-20(12-27(19)22)15-5-7-16(23)8-6-15/h2-8,11-13H,9-10H2,1H3,(H,24,28)(H,25,29).

What are the key properties of N-(3-acetamidophenyl)-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide?

N-(3-acetamidophenyl)-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide has a molecular weight of 438.94 g/mol, XLogP of 5.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-acetamidophenyl)-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide is sourced from PubChem (CID 30939931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).